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Compound InformationSONAR Target prediction
Name:

Oleic Acid

Unique Identifier:LOPAC 01105
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C18H34O2
Molecular Weight:248.191 g/mol
X log p:3.318  (online calculus)
Lipinksi Failures1
TPSA17.07
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:2
Rotatable Bond Count:15
Canonical Smiles:CCCCCCCC=CCCCCCCCCC(O)=O
Class:Phosphorylation
Action:Activator
Selectivity:PKC
Generic_name:OLEIC ACID
Chemical_iupac_name:OLEIC ACID
Drug_type:Experimental
Kegg_compound_id:C00712
Drugbank_id:EXPT02430
Logp:6.036
Cas_registry_number:112-80-1
Drug_category:Serum Albumin inhibitor
Organisms_affected:-1

Found: 24 nonactive as graph: single | with analogs [1] << Back 1 2 3 4 5 6 7 8 9 10  Next >> [24]
Species: 4932
Condition: GIM3
Replicates: 4
Raw OD Value: r im 0.4854±0.16169
Normalized OD Score: sc h 0.9463±0.0484413
Z-Score: -0.9859±0.72791
p-Value: 0.335204
Z-Factor: -7.96057
Fitness Defect: 1.093
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Lopac
Plate Number and Position:12|B4
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:27.70 Celcius
Date:2005-04-08 YYYY-MM-DD
Plate CH Control (+):0.0453±0.00117
Plate DMSO Control (-):0.635275±0.14583
Plate Z-Factor:0.0916
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DBLink | Rows returned: 282[1] << Back 31 32 33 34 35 36 37 38 39 40  Next >> [47]
6436661 copper (E)-octadec-9-enoate
6437038 bismuth(+3) cation; (E)-octadec-9-enoate
6437734 cadmium(+2) cation; (E)-octadec-9-enoate
6438082 (E)-octadec-9-enoic acid; propan-2-ol; titanium
6438122 aluminum; (E)-octadec-9-enoic acid; hydrate
6438176 (E)-hexadec-8-enoic acid

internal high similarity DBLink | Rows returned: 5
SPE00100550 0.9091
SPE01800031 0.9091
BTBG 00247 0.9524
SPE00310016 1.0000
SPE01500856 1.0000

active | Cluster 13466 | Additional Members: 2 | Rows returned: 0
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